(6R,6aR)-5-ethanoyl-9,9-dimethyl-6-(4-nitrophenyl)-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (6R,6aR)-5-ethanoyl-9,9-dimethyl-6-(4-nitrophenyl)-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: (6R,6aR)-5-acetyl-9,9-dimethyl-6-(4-nitrophenyl)-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: (6R,6aR)-5-acetyl-9,9-dimethyl-6-(4-nitrophenyl)-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6R,6aR)-5-acetyl-9,9-dimethyl-6-(4-nitrophenyl)-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: (6R,6aR)-5-acetyl-9,9-dimethyl-6-(4-nitrophenyl)-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C2C(=O)CC(C=C2NC3=CC=CC=C31)(C)C)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1[C@H]([C@H]2C(=O)CC(C=C2NC3=CC=CC=C31)(C)C)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O4/c1-14(27)25-19-7-5-4-6-17(19)24-18-12-23(2,3)13-20(28)21(18)22(25)15-8-10-16(11-9-15)26(29)30/h4-12,21-22,24H,13H2,1-3H3/t21-,22+/m1/s1